SCHEMBL14309091

SCHEMBL14309091

COc1ccc(CCCC2CCC(=O)N2Cc2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 7/20 0.45
▸ HCRTR1 O43613 6/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5017752 0.82 HCRTR2 (0.45) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL5023886 0.82 HCRTR2 (0.45) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL5017748 0.82 HCRTR2 (0.45) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL6449877 0.77 HCRTR2 (0.53) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL3677750 0.77 HCRTR2 (0.53) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL7504824 0.77 HCRTR2 (0.53) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL14285582 0.77 HCRTR2 (0.41) HCRTR2HCRTR1MEN1KMT2ATDP1
SCHEMBL14285579 0.77 HCRTR2 (0.41) HCRTR2HCRTR1MEN1KMT2ATDP1
SCHEMBL5023922 0.76 HCRTR1 (0.51) HCRTR2HCRTR1MEN1KMT2ATDP1
SCHEMBL5023915 0.76 HCRTR1 (0.51) HCRTR2HCRTR1MEN1KMT2ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314940-B2 For therapy and prophylaxis of neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2008-01-01 — — US disclosed
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